기본 정보
- CAS
1631754-28-3- 표준 SMILES
CC(=O)O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O- InChIKey
AWSBRHKQUFVWPU-AJDWMHSWSA-N- 분자식
- C47H73N11O14S
- 평균 분자량
- 1,048.2 g/mol
- 단동위원소 질량
- 1,047.50591722
이름 및 식별자
- 우선 이름
- Carbetocin acetate
- IUPAC
- acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
- 영어명
- Carbetocin acetate
- 분자식
- C47H73N11O14S
- 분자량
- 1048.22
이름 및 동의어
Carbetocin acetateCarbetocin (acetate)1631754-28-31936459-26-5Carbetocin acetate(37025-55-1 free base)orb1218685orb1299670SCHEMBL19745049HY-17573ADA-51582CS-0012390D81076
이름 더 보기
Carbetocin (xacetate)Carbetocin acetate, 10 mM in DMSOCarbetocin,Carbetocin acetate,inhibit,hemorrhage,blood-brain,barrier,Inhibitor,antidepressant-like,Oxytocin Receptor,N-terminus,OXTR,postpartum,bbb(S)-1-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide xacetate
acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
물성
구조 계산 물성
- 극성 표면적
- 425 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,880
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,PBS (pH 7.2): 5 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- White to off-white
화학 및 산업
공급사20 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
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