2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1)

Basic Information

$2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1)$

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CAS Number

1435938-24-1

Molecular Formula

C46H38D16N6O8S2

Molecular Weight

899.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H].[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/i2*9D2,10D2,11D2,12D2;

InChIKey

ZTHJULTYCAQOIJ-UXUYVNHUSA-N

LogP

5.423800000000006

Topological Polar Surface Area

171.2 Å²

Hydrogen Bond Donor/Acceptor

4 / 14

Synonyms & References

English

Quetiapine-d8 Hemifumarate (piperazine-d8)

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Compound Q&A

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Compound Q&A

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Supplier Information

$2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1) — Shanghai Yuyeh Biotechnology Co., Ltd.$

$2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1) — Shanghai SameSharp Biotechnology Co., Ltd.$

Shanghai SameSharp Biotechnology Co., Ltd.

CAS Number: 1435938-24-1

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$2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1) — Beijing Boao Tuoda Technology Co., Ltd.$

Beijing Boao Tuoda Technology Co., Ltd.

CAS Number: 1435938-24-1

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ARTIS STANDARDS

CAS Number: 1435938-24-1

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2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol (2E)-2-butenedioate (2:1) | CAS No. 1435938-24-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Synonyms & References

English

Related Compounds

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Supplier Information

Shanghai Yuyeh Biotechnology Co., Ltd.

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Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

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